N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-allyl-6-ethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(3-allyl-6-ethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)CC=C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)CC=C

InChI

InChI=1S/C21H23N3O3S3/c1-3-11-23-16-10-9-15(4-2)14-18(16)29-21(23)22-20(25)17-7-5-12-24(17)30(26,27)19-8-6-13-28-19/h3,6,8-10,13-14,17H,1,4-5,7,11-12H2,2H3